10-(15-phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine

C34H20N8OS — CID 129289382

About 10-(15-phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine

10-(15-phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine (PubChem CID 129289382) has the molecular formula C34H20N8OS and a molecular weight of 588.66 g/mol. Its IUPAC name is 10-(15-phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine.

Molecular Properties

• Compound Name: 10-(15-phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine
• PubChem CID: 129289382
• Molecular Formula: C34H20N8OS
• Molecular Weight: 588.66 g/mol
• Exact Mass: 588.15
• IUPAC Name: 10-(15-phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine
• SMILES: c1ccc2c(c1)Oc1ccccc1N2c1cc2c(cc1N1c3ccccc3Sc3ccccc31)n1cnnc1c1nncn21
• InChI: InChI=1S/C34H20N8OS/c1-5-13-29-21(9-1)41(22-10-2-6-14-30(22)43-29)27-17-25-26(40-20-36-38-34(40)33-37-35-19-39(25)33)18-28(27)42-23-11-3-7-15-31(23)44-32-16-8-4-12-24(32)42/h1-20H
• InChIKey: MFMHDZGVBDWHKU-UHFFFAOYSA-N
• XLogP: 8.44
• TPSA: 76.09 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.66
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 10-(15-phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine?

The IUPAC name of 10-(15-phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine (CID 129289382) is 10-(15-phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine.

What is the SMILES notation for 10-(15-phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine?

The canonical SMILES for 10-(15-phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc2c(cc1N1c3ccccc3Sc3ccccc31)n1cnnc1c1nncn21.

What is the InChIKey of 10-(15-phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine?

The InChIKey is MFMHDZGVBDWHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N8OS/c1-5-13-29-21(9-1)41(22-10-2-6-14-30(22)43-29)27-17-25-26(40-20-36-38-34(40)33-37-35-19-39(25)33)18-28(27)42-23-11-3-7-15-31(23)44-32-16-8-4-12-24(32)42/h1-20H.

What are the key properties of 10-(15-phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine?

10-(15-phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine has a molecular weight of 588.66 g/mol, XLogP of 8.44, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(15-phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine is sourced from PubChem (CID 129289382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).